BMRB Entry 5675
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5675
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Title: THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-I BY 2D 1H-NMR
Deposition date: 2003-01-23 Original release date: 2008-07-16
Authors: Li, D.; Liang, S.
Citation: Li, D.; Liang, S.. "Three-Dimensional Solution Structure of HAINANTOXIN-I by 2D 1H-NMR" . ., .-..
Assembly members:
HAINANTOXIN-I, polymer, 33 residues, Formula weight is not available
Natural source: Common Name: Chinese bird spider Taxonomy ID: 209901 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Selenocosmia hainana
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
HAINANTOXIN-I: ECKGFGKSCVPGKNECCSGY
ACNSRDKWCKVLX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 174 |
| coupling constants | 10 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HAINANTOXIN-I | 1 |
Entities:
Entity 1, HAINANTOXIN-I 33 residues - Formula weight is not available
| 1 | GLU | CYS | LYS | GLY | PHE | GLY | LYS | SER | CYS | VAL | ||||
| 2 | PRO | GLY | LYS | ASN | GLU | CYS | CYS | SER | GLY | TYR | ||||
| 3 | ALA | CYS | ASN | SER | ARG | ASP | LYS | TRP | CYS | LYS | ||||
| 4 | VAL | LEU | NLW |
Samples:
sample_1: HAINANTOXIN-I 4.5 mM; L deuterium acetic acid buffer 20 mM; H2O 90%; D2O 10%
sample_2: HAINANTOXIN-I 4.5 mM; L deuterium acetic acid buffer 20 mM; D2O 100%
sample_cond_1: ionic strength: 20 mM; pH: 4.00; pressure: 1 atm; temperature: 288.00 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | not available | not available | sample_cond_1 |
| DQF-COSY | not available | not available | sample_cond_1 |
| TOCSY | not available | not available | sample_cond_1 |
Software:
X-PLOR v3.851 - refinement
FELIX v98.0 - structure solution
NMR spectrometers:
- BRUKER DRX 500 MHz